methyl 4-[[2-(2,2-dimethyl-3-oxidanylidene-4H-quinoxalin-1-yl)-2-oxidanylidene-ethyl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[2-(2,2-dimethyl-3-oxidanylidene-4H-quinoxalin-1-yl)-2-oxidanylidene-ethyl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxo-ethyl]sulfanylmethyl]benzoate CAS Name: 4-[[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]sulfanylmethyl]benzoate Traditional Name: 4-[[[2-keto-2-(3-keto-2,2-dimethyl-4H-quinoxalin-1-yl)ethyl]thio]methyl]benzoic acid methyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NC2=CC=CC=C2N1C(=O)CSCC3=CC=C(C=C3)C(=O)OC)C

Isomeric SMILES

CC1(C(=O)NC2=CC=CC=C2N1C(=O)CSCC3=CC=C(C=C3)C(=O)OC)C

InChI

InChI=1S/C21H22N2O4S/c1-21(2)20(26)22-16-6-4-5-7-17(16)23(21)18(24)13-28-12-14-8-10-15(11-9-14)19(25)27-3/h4-11H,12-13H2,1-3H3,(H,22,26)